1.0 2011-09-21 01:51:34 UTC 2015-07-21 06:59:39 UTC FDB029196 Acetylcarnosine N-Acetylcarnosine (NAC) is a naturally-occurring compound chemically related to the dipeptide carnosine. Its molecular structure is similar to carnosine with the exception that it carries an additional acetyl group. This makes NAC a more stable molecule which is not easily destroyed by carnosinase, an enzyme that breaks down carnosine to its constituent amino acids, beta-alanine and histidine.; NAC is a free-radical scavenger and is particularly active against lipid peroxidation in the different parts of the lens in the eye. It is the active ingredient of eye drops used in order to prevent or treat cataract. [HMDB] N-Acetylcarnosine C11H16N4O4 268.2691 268.11715502 (2R)-2-(3-acetamidopropanamido)-3-(1H-imidazol-5-yl)propanoic acid (2R)-2-(3-acetamidopropanamido)-3-(3H-imidazol-4-yl)propanoic acid 56353-15-2 CC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(O)=O InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m1/s1 BKAYIFDRRZZKNF-SECBINFHSA-N belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Hybrid peptides Organic compounds Organic acids and derivatives Peptidomimetics Hybrid peptides Aromatic heteromonocyclic compounds Acetamides Azacyclic compounds Beta amino acids and derivatives Carbonyl compounds Carboxylic acids Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Acetamide Alpha-amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Azole Beta amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Histidine or derivatives Hybrid peptide Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Solid logp -0.93 ALOGPS logs -2.40 ALOGPS solubility 1.07e+00 g/l ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 3.61 ChemAxon pka_strongest_basic 6.75 ChemAxon iupac (2R)-2-(3-acetamidopropanamido)-3-(1H-imidazol-5-yl)propanoic acid ChemAxon average_mass 268.2691 ChemAxon mono_mass 268.11715502 ChemAxon smiles CC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(O)=O ChemAxon formula C11H16N4O4 ChemAxon inchi InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m1/s1 ChemAxon inchikey BKAYIFDRRZZKNF-SECBINFHSA-N ChemAxon polar_surface_area 124.18 ChemAxon refractivity 65.01 ChemAxon polarizability 26.1 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21516 Specdb::CMs 40012 Specdb::CMs 153726 Specdb::MsMs 313843 Specdb::MsMs 313844 Specdb::MsMs 313845 Specdb::MsMs 359431 Specdb::MsMs 359432 Specdb::MsMs 359433 Specdb::MsMs 2795360 Specdb::MsMs 2795361 Specdb::MsMs 2795362 Specdb::MsMs 2886797 Specdb::MsMs 2886798 Specdb::MsMs 2886799 Specdb::NmrOneD 97878 Specdb::NmrOneD 97879 Specdb::NmrOneD 97880 Specdb::NmrOneD 97881 Specdb::NmrOneD 97882 Specdb::NmrOneD 97883 Specdb::NmrOneD 97884 Specdb::NmrOneD 97885 Specdb::NmrOneD 97886 Specdb::NmrOneD 97887 Specdb::NmrOneD 97888 Specdb::NmrOneD 97889 Specdb::NmrOneD 97890 Specdb::NmrOneD 97891 Specdb::NmrOneD 97892 Specdb::NmrOneD 97893 Specdb::NmrOneD 97894 Specdb::NmrOneD 97895 Specdb::NmrOneD 97896 Specdb::NmrOneD 97897 HMDB12881